Add to ORKGThe rotational barrier about the C - S bond in fluorocarbonylsulfenyl chloride [FC(0)SC1] is investigated using the CNDO method. The results confirm the existence of planar eis and trans conformers and the higher stability of the latter, as suggested by previous vibrational results. The valence force constants in FC(0)SC1 were also calculated and the values obtained compare favourably with results from a previous normal coordinate calculation and with those of related compounds.Publicado on line en 2014.Facultad de Ciencias Exacta
The structural, conformational, and configurational properties of 1,1,1-trifluoro-N-(1,1,2,2,2-penta...
Parameters for sulfoxides used in force field MM1 were modified to be incorporated into force field ...
The geometries involved in the conformational equilibria of α-fluoroacetophenone, p-nitro-α-fluoroac...
Fluorocarbons are known to be stiffer than their hydrocarbon analogues, a property that underlines t...
Physical and chemical characteristics of flexible compounds are extremely dependent of internal rota...
A general valence force field for secondary chlorides has been refined which includes torsional forc...
A force field has been derived for monochloro- and 2,4-dichloro-hydrocarbons. The Snyder-Schachtschn...
The synthesis of m-fluorosulfinylaniline together with a tentative assignment of the vibrational, NM...
Author Institution: Analatom Incorporated; NASA Ames Research Center; Polyatomics Research InstitueT...
The use of empirically determined ground state quartic distortion constants of a molecule can be ins...
We have performed a force field calculation for 3-fluorostyrene following the refinement and the sca...
Author Institution: Dipartimento di Chimica "G. Ciamician" dell'Universita, Via Selmi 2, I-40126 Bol...
Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/70854/2/JCPSA6-55-6-3049-1.pd
The equilibrium structure for 1-chloro-1-fluoroethene is reported. The structure has been obtained b...
$^{*}$This work was supported in part by the Office of Naval Research. $\dagger$Work performed at th...
The structural, conformational, and configurational properties of 1,1,1-trifluoro-N-(1,1,2,2,2-penta...
Parameters for sulfoxides used in force field MM1 were modified to be incorporated into force field ...
The geometries involved in the conformational equilibria of α-fluoroacetophenone, p-nitro-α-fluoroac...
Fluorocarbons are known to be stiffer than their hydrocarbon analogues, a property that underlines t...
Physical and chemical characteristics of flexible compounds are extremely dependent of internal rota...
A general valence force field for secondary chlorides has been refined which includes torsional forc...
A force field has been derived for monochloro- and 2,4-dichloro-hydrocarbons. The Snyder-Schachtschn...
The synthesis of m-fluorosulfinylaniline together with a tentative assignment of the vibrational, NM...
Author Institution: Analatom Incorporated; NASA Ames Research Center; Polyatomics Research InstitueT...
The use of empirically determined ground state quartic distortion constants of a molecule can be ins...
We have performed a force field calculation for 3-fluorostyrene following the refinement and the sca...
Author Institution: Dipartimento di Chimica "G. Ciamician" dell'Universita, Via Selmi 2, I-40126 Bol...
Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/70854/2/JCPSA6-55-6-3049-1.pd
The equilibrium structure for 1-chloro-1-fluoroethene is reported. The structure has been obtained b...
$^{*}$This work was supported in part by the Office of Naval Research. $\dagger$Work performed at th...
The structural, conformational, and configurational properties of 1,1,1-trifluoro-N-(1,1,2,2,2-penta...
Parameters for sulfoxides used in force field MM1 were modified to be incorporated into force field ...
The geometries involved in the conformational equilibria of α-fluoroacetophenone, p-nitro-α-fluoroac...